UCSF

ZINC21755481

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 7.18 -60.8 0 6 -1 82 417.413 4
Mid Mid (pH 6-8) 3.84 6.76 -16.95 1 6 0 80 418.421 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )